3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one

C20H25NO2 — CID 54687586

IUPAC3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)ccn1C1CCCCCCC1
InChIInChI=1S/C20H25NO2/c22-19-13-14-21(17-11-7-2-1-3-8-12-17)20(23)18(19)15-16-9-5-4-6-10-16/h4-6,9-10,13-14,17,22H,1-3,7-8,11-12,15H2
InChIKeyXYTOUBQPLURFEE-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.43
Rot. Bonds3

About 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one

3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one (PubChem CID 54687586) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one
PubChem CID54687586
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(O)ccn1C1CCCCCCC1
InChIInChI=1S/C20H25NO2/c22-19-13-14-21(17-11-7-2-1-3-8-12-17)20(23)18(19)15-16-9-5-4-6-10-16/h4-6,9-10,13-14,17,22H,1-3,7-8,11-12,15H2
InChIKeyXYTOUBQPLURFEE-UHFFFAOYSA-N
XLogP4.43
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one?
The IUPAC name of 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one (CID 54687586) is 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one.
What is the SMILES notation for 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one?
The canonical SMILES for 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one is O=c1c(Cc2ccccc2)c(O)ccn1C1CCCCCCC1.
What is the InChIKey of 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one?
The InChIKey is XYTOUBQPLURFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-19-13-14-21(17-11-7-2-1-3-8-12-17)20(23)18(19)15-16-9-5-4-6-10-16/h4-6,9-10,13-14,17,22H,1-3,7-8,11-12,15H2.
What are the key properties of 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one?
3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one has a molecular weight of 311.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one is sourced from PubChem (CID 54687586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).